3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-propan-2-yl-N-(trifluoromethyl)purin-6-amine

Systemtic Name: 3-[(3-cyclopentyloxy-4-methoxy-phenyl)methyl]-8-propan-2-yl-N-(trifluoromethyl)purin-6-amine Openeye Name: 3-[[3-(cyclopentoxy)-4-methoxy-phenyl]methyl]-8-isopropyl-N-(trifluoromethyl)purin-6-amine CAS Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-yl-N-(trifluoromethyl)-6-purinamine IUPAC Name: 3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-8-propan-2-yl-N-(trifluoromethyl)purin-6-amine Traditional Name: [3-[3-(cyclopentoxy)-4-methoxy-benzyl]-8-isopropyl-purin-6-yl]-(trifluoromethyl)amine Formula: C22H26F3N5O2 MolecularWeight: 449.46935

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)NC(F)(F)F

Isomeric SMILES

CC(C)C1=NC2=C(N=CN(C2=N1)CC3=CC(=C(C=C3)OC)OC4CCCC4)NC(F)(F)F

InChI

InChI=1S/C22H26F3N5O2/c1-13(2)19-27-18-20(29-22(23,24)25)26-12-30(21(18)28-19)11-14-8-9-16(31-3)17(10-14)32-15-6-4-5-7-15/h8-10,12-13,15,29H,4-7,11H2,1-3H3